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Theoretical and Experimental Approaches Aimed at Drug Design Targeting Neurodegenerative Diseases

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Bachillerato en Ciencias, Facultad de Ciencias, Universidad Santo Tomás, Av. Circunvalación Poniente #1855, 3460000 Talca, Chile
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Organic Synthesis Laboratory and Biological Activity (LSO-Act-Bio), Doctorado en Ciencias Aplicadas, Facultad de Ingeniería e Instituto de Química de Recursos Naturales, Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile
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Departamento de Ciencias Químicas, Facultad de ciencias Exactas, Universidad Andrés Bello, Quillota 980, 2531015 Viña del Mar, Chile
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Centro de Bioinformática y Simulación Molecular (CBSM), Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile
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Instituto de Química de Recursos Naturales, Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile
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Millennium Nucleus of Ion Channels-Associated Diseases (MiNICAD), Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile
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Department of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, 28040 Madrid, Spain
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Centro de Investigación Biomédica y Aplicada (CIBAP), Escuela de Medicina, Facultad de Ciencias Médicas, Universidad de Santiago de Chile, Av. Libertador Bernardo O’Higgins 3677, 8900000 Santiago, Chile
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Facultad de Ciencias de la Salud, Universidad Autónoma de Chile, Avenida Pedro de Valdivia 425, 8320000 Santiago, Chile
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Instituto de Ciencias Biomédicas, Facultad de Ciencias de la Salud, Universidad Autónoma de Chile, El Llano Subercaseaux 2801—Piso 5, 8200000 Santiago, Chile
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Author to whom correspondence should be addressed.
Processes 2019, 7(12), 940; https://doi.org/10.3390/pr7120940
Received: 31 October 2019 / Revised: 2 December 2019 / Accepted: 7 December 2019 / Published: 10 December 2019
(This article belongs to the Special Issue Green Sustainable Chemical Processes)
In recent years, green chemistry has been strengthening, showing how basic and applied sciences advance globally, protecting the environment and human health. A clear example of this evolution is the synergy that now exists between theoretical and computational methods to design new drugs in the most efficient possible way, using the minimum of reagents and obtaining the maximum yield. The development of compounds with potential therapeutic activity against multiple targets associated with neurodegenerative diseases/disorders (NDD) such as Alzheimer’s disease is a hot topic in medical chemistry, where different scientists from various disciplines collaborate to find safe, active, and effective drugs. NDD are a public health problem, affecting mainly the population over 60 years old. To generate significant progress in the pharmacological treatment of NDD, it is necessary to employ different experimental strategies of green chemistry, medical chemistry, and molecular biology, coupled with computational and theoretical approaches such as molecular simulations and chemoinformatics, all framed in the rational drug design targeting NDD. Here, we review how green chemistry and computational approaches have been used to develop new compounds with the potential application against NDD, as well as the challenges and new directions of the drug development multidisciplinary process. View Full-Text
Keywords: Green chemistry; drug design; neurodegenerative diseases; molecular modeling; medical chemistry; chemoinformatics Green chemistry; drug design; neurodegenerative diseases; molecular modeling; medical chemistry; chemoinformatics
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Morales-Navarro, S.; Prent-Peñaloza, L.; Rodríguez Núñez, Y.A.; Sánchez-Aros, L.; Forero-Doria, O.; González, W.; Campilllo, N.E.; Reyes-Parada, M.; Martínez, A.; Ramírez, D. Theoretical and Experimental Approaches Aimed at Drug Design Targeting Neurodegenerative Diseases. Processes 2019, 7, 940.

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